N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide

C21H19N3O4 — CID 7599231

IUPACN-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1
InChIInChI=1S/C21H19N3O4/c1-14-9-15(2)11-17(10-14)22-20(25)19-7-4-8-23(21(19)26)13-16-5-3-6-18(12-16)24(27)28/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyCSBKAEMZBCSSTL-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.67
Rot. Bonds5

About N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide

N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7599231) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7599231
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1
InChIInChI=1S/C21H19N3O4/c1-14-9-15(2)11-17(10-14)22-20(25)19-7-4-8-23(21(19)26)13-16-5-3-6-18(12-16)24(27)28/h3-12H,13H2,1-2H3,(H,22,25)
InChIKeyCSBKAEMZBCSSTL-UHFFFAOYSA-N
XLogP3.67
TPSA94.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599175
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
N-(3-acetylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599212
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
N-(2-methoxy-5-nitrophenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 48520347
1-[(3-chlorophenyl)methyl]-N-(4-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7599052
N-(6-methyl-1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 16803770
N-(2,5-difluorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599222
N-(1,3-benzothiazol-2-yl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599269
1-[(4-fluorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7597772
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7599231) is N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is CSBKAEMZBCSSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14-9-15(2)11-17(10-14)22-20(25)19-7-4-8-23(21(19)26)13-16-5-3-6-18(12-16)24(27)28/h3-12H,13H2,1-2H3,(H,22,25).
What are the key properties of N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7599231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).